2-(5-chloro-2-methylphenyl)-N,6-dimethylquinazolin-4-amine

C17H16ClN3 — CID 82875208

IUPAC2-(5-chloro-2-methylphenyl)-N,6-dimethylquinazolin-4-amine
SMILESCNc1nc(-c2cc(Cl)ccc2C)nc2ccc(C)cc12
InChIInChI=1S/C17H16ClN3/c1-10-4-7-15-14(8-10)16(19-3)21-17(20-15)13-9-12(18)6-5-11(13)2/h4-9H,1-3H3,(H,19,20,21)
InChIKeyUKYOERCXYPWPRL-UHFFFAOYSA-N
MW297.79 g/mol
LogP4.61
Rot. Bonds2

About 2-(5-chloro-2-methylphenyl)-N,6-dimethylquinazolin-4-amine

2-(5-chloro-2-methylphenyl)-N,6-dimethylquinazolin-4-amine (PubChem CID 82875208) has the molecular formula C17H16ClN3 and a molecular weight of 297.79 g/mol. Its IUPAC name is 2-(5-chloro-2-methylphenyl)-N,6-dimethylquinazolin-4-amine.

Molecular Properties

Compound Name2-(5-chloro-2-methylphenyl)-N,6-dimethylquinazolin-4-amine
PubChem CID82875208
Molecular FormulaC17H16ClN3
Molecular Weight297.79 g/mol
Exact Mass297.10
IUPAC Name2-(5-chloro-2-methylphenyl)-N,6-dimethylquinazolin-4-amine
SMILESCNc1nc(-c2cc(Cl)ccc2C)nc2ccc(C)cc12
InChIInChI=1S/C17H16ClN3/c1-10-4-7-15-14(8-10)16(19-3)21-17(20-15)13-9-12(18)6-5-11(13)2/h4-9H,1-3H3,(H,19,20,21)
InChIKeyUKYOERCXYPWPRL-UHFFFAOYSA-N
XLogP4.61
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.79
LogP ≤ 54.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(5-chloro-2-methylphenyl)-N,6-dimethylquinazolin-4-amine?
The IUPAC name of 2-(5-chloro-2-methylphenyl)-N,6-dimethylquinazolin-4-amine (CID 82875208) is 2-(5-chloro-2-methylphenyl)-N,6-dimethylquinazolin-4-amine.
What is the SMILES notation for 2-(5-chloro-2-methylphenyl)-N,6-dimethylquinazolin-4-amine?
The canonical SMILES for 2-(5-chloro-2-methylphenyl)-N,6-dimethylquinazolin-4-amine is CNc1nc(-c2cc(Cl)ccc2C)nc2ccc(C)cc12.
What is the InChIKey of 2-(5-chloro-2-methylphenyl)-N,6-dimethylquinazolin-4-amine?
The InChIKey is UKYOERCXYPWPRL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16ClN3/c1-10-4-7-15-14(8-10)16(19-3)21-17(20-15)13-9-12(18)6-5-11(13)2/h4-9H,1-3H3,(H,19,20,21).
What are the key properties of 2-(5-chloro-2-methylphenyl)-N,6-dimethylquinazolin-4-amine?
2-(5-chloro-2-methylphenyl)-N,6-dimethylquinazolin-4-amine has a molecular weight of 297.79 g/mol, XLogP of 4.61, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-chloro-2-methylphenyl)-N,6-dimethylquinazolin-4-amine is sourced from PubChem (CID 82875208), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).